SIMILAR PATTERNS OF AMINO ACIDS FOR 5YF0_B_SAMB503

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v8p 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Aquifex
aeolicus) 		PF00288
(GHMP_kinases_N) 		5 GLY A 237
ASN A 206
SER A 240
THR A 171
TYR A 175
 None
None
None
CDP  A1269 ( 4.1A)
CDP  A1269 (-3.6A)
 1.48A 5yf0B-2v8pA:
undetectable		 5yf0B-2v8pA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dsm UNCHARACTERIZED
PROTEIN BACUNI_02894

(Bacteroides
uniformis) 		no annotation 5 ASN A 160
TRP A 162
SER A 163
PHE A 122
TYR A 102
 None
 1.48A 5yf0B-3dsmA:
0.0		 5yf0B-3dsmA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ncy ADIC

(Salmonella
enterica) 		PF13520
(AA_permease_2) 		5 GLY A 206
ASN A  22
THR A 361
TYR A  93
TYR A 397
 None
 1.18A 5yf0B-3ncyA:
0.0		 5yf0B-3ncyA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s30 HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Bacteroides
vulgatus) 		PF13201
(PCMD) 		5 GLY A 168
ASN A 166
PHE A 181
THR A 172
TYR A 176
 None
 1.44A 5yf0B-3s30A:
undetectable		 5yf0B-3s30A:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tl4 GLUTAMINYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF04558
(tRNA_synt_1c_R1) 		5 GLN X  87
GLY X  76
ASN X  75
THR X  51
TYR X  45
 None
 1.35A 5yf0B-3tl4X:
0.0		 5yf0B-3tl4X:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4f MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A 117
MET A 119
THR A 293
TYR A 332
TYR A  34
 GAI  A 372 ( 4.3A)
GAI  A 372 ( 3.7A)
None
None
None
 1.48A 5yf0B-3u4fA:
0.9		 5yf0B-3u4fA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gt6 CELL SURFACE PROTEIN

(Faecalibacterium
prausnitzii) 		PF13306
(LRR_5) 		5 GLY A 358
ASN A 381
SER A 377
CYH A 336
PHE A 333
 None
 1.47A 5yf0B-4gt6A:
0.0		 5yf0B-4gt6A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A4640
ASN A4645
SER A4497
PHE A4639
TYR A4346
 None
 1.31A 5yf0B-4opeA:
0.7		 5yf0B-4opeA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4za2 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Pectobacterium
carotovorum) 		PF13561
(adh_short_C2) 		5 GLN A 222
GLY A  23
ASN A  92
MET A 225
THR A  48
 None
 1.45A 5yf0B-4za2A:
4.8		 5yf0B-4za2A:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x62 CARNOSINE
N-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF07942
(N2227) 		10 GLN A 108
GLY A 146
ASN A 166
SER A 169
MET A 172
PHE A 235
PHE A 275
THR A 279
TYR A 286
TYR A 371
 SAH  A 501 (-3.4A)
SAH  A 501 (-3.2A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.4A)
SAH  A 501 (-3.9A)
None
None
SAH  A 501 (-3.6A)
None
SAH  A 501 (-4.8A)
 0.34A 5yf0B-5x62A:
39.7		 5yf0B-5x62A:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5yf0 -

(-) 		no annotation 12 GLN A 164
GLY A 208
ASN A 228
TRP A 230
SER A 231
MET A 234
PHE A 296
CYH A 312
PHE A 313
THR A 317
TYR A 324
TYR A 386
 SAM  A 505 (-3.6A)
SAM  A 505 (-3.3A)
SAM  A 505 (-3.7A)
None
SAM  A 505 (-4.4A)
SAM  A 505 (-4.2A)
None
SAM  A 505 (-3.5A)
None
SAM  A 505 (-3.4A)
None
SAM  A 505 (-4.5A)
 0.14A 5yf0B-5yf0A:
52.3		 5yf0B-5yf0A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		4 ARG A 424
TYR A 402
GLU A 453
ASP A 504
 None
 1.45A 5yf0B-3gsiA:
2.8		 5yf0B-3gsiA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gxk GOOSE-TYPE LYSOZYME
1

(Gadus morhua) 		PF01464
(SLT) 		4 ARG A 103
TYR A 104
GLU A  73
ASP A 176
 None
 1.50A 5yf0B-3gxkA:
0.0		 5yf0B-3gxkA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 4 ARG X 496
TYR X 494
GLU X 317
ASP X 608
 None
 1.47A 5yf0B-3kvnX:
0.4		 5yf0B-3kvnX:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5txe ATXE2

(Asticcacaulis
excentricus) 		PF00326
(Peptidase_S9) 		4 ARG A 471
TYR A 476
GLU A 299
ASP A 297
 None
 1.45A 5yf0B-5txeA:
0.0		 5yf0B-5txeA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yf0 -

(-) 		no annotation 4 ARG A 167
TYR A 181
GLU A 229
ASP A 295
 SAM  A 505 (-4.0A)
None
SAM  A 505 (-2.9A)
SAM  A 505 (-3.6A)
 0.07A 5yf0B-5yf0A:
52.3		 5yf0B-5yf0A:
undetectable